N-(2-chlorophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chlorophenyl)propanamide CAS Name: N-(2-chlorophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-chlorophenyl)propionamide Formula: C16H19ClN4OS MolecularWeight: 350.86626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C16H19ClN4OS/c1-3-10-21-14(4-2)19-20-16(21)23-11-9-15(22)18-13-8-6-5-7-12(13)17/h3,5-8H,1,4,9-11H2,2H3,(H,18,22)